[(1R,2S)-1-(4-cyanophenyl)-3-methoxy-1-oxidanyl-3-oxidanylidene-propan-2-yl]azanium chloride

Systemtic Name: [(1R,2S)-1-(4-cyanophenyl)-3-methoxy-1-oxidanyl-3-oxidanylidene-propan-2-yl]azanium chloride Openeye Name: [(1S)-1-[(R)-(4-cyanophenyl)-hydroxy-methyl]-2-methoxy-2-oxo-ethyl]ammonium chloride CAS Name: [(1R,2S)-1-(4-cyanophenyl)-1-hydroxy-3-methoxy-3-oxopropan-2-yl]ammonium chloride IUPAC Name: [(1R,2S)-1-(4-cyanophenyl)-1-hydroxy-3-methoxy-3-oxopropan-2-yl]azanium chloride Traditional Name: [(1S,2R)-1-carbomethoxy-2-(4-cyanophenyl)-2-hydroxy-ethyl]ammonium chloride Formula: C11H13ClN2O3 MolecularWeight: 256.68552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C1=CC=C(C=C1)C#N)O)[NH3+].[Cl-]

Isomeric SMILES

COC(=O)[C@H]([C@@H](C1=CC=C(C=C1)C#N)O)[NH3+].[Cl-]

InChI

InChI=1S/C11H12N2O3.ClH/c1-16-11(15)9(13)10(14)8-4-2-7(6-12)3-5-8;/h2-5,9-10,14H,13H2,1H3;1H/t9-,10+;/m0./s1